1,3,6-trimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 1,3,6-trimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 1,3,6-trimethyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 1,3,6-trimethyl-N-[4-(3-pyridinylmethylthio)phenyl]-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1,3,6-trimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 1,3,6-trimethyl-N-[4-(3-pyridylmethylthio)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-14-11-19(20-15(2)26-27(3)21(20)24-14)22(28)25-17-6-8-18(9-7-17)29-13-16-5-4-10-23-12-16/h4-12H,13H2,1-3H3,(H,25,28)